5-(2,2-dimethylpropanoylamino)-N,3-dimethyl-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide

C15H21F3N2O2S — CID 86835607

IUPAC5-(2,2-dimethylpropanoylamino)-N,3-dimethyl-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide
SMILESCc1cc(NC(=O)C(C)(C)C)sc1C(=O)N(C)CCC(F)(F)F
InChIInChI=1S/C15H21F3N2O2S/c1-9-8-10(19-13(22)14(2,3)4)23-11(9)12(21)20(5)7-6-15(16,17)18/h8H,6-7H2,1-5H3,(H,19,22)
InChIKeyKJUOIOOSSRAFFM-UHFFFAOYSA-N
MW350.41 g/mol
LogP4.07
Rot. Bonds4

About 5-(2,2-dimethylpropanoylamino)-N,3-dimethyl-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide

5-(2,2-dimethylpropanoylamino)-N,3-dimethyl-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide (PubChem CID 86835607) has the molecular formula C15H21F3N2O2S and a molecular weight of 350.41 g/mol. Its IUPAC name is 5-(2,2-dimethylpropanoylamino)-N,3-dimethyl-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(2,2-dimethylpropanoylamino)-N,3-dimethyl-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide
PubChem CID86835607
Molecular FormulaC15H21F3N2O2S
Molecular Weight350.41 g/mol
Exact Mass350.13
IUPAC Name5-(2,2-dimethylpropanoylamino)-N,3-dimethyl-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide
SMILESCc1cc(NC(=O)C(C)(C)C)sc1C(=O)N(C)CCC(F)(F)F
InChIInChI=1S/C15H21F3N2O2S/c1-9-8-10(19-13(22)14(2,3)4)23-11(9)12(21)20(5)7-6-15(16,17)18/h8H,6-7H2,1-5H3,(H,19,22)
InChIKeyKJUOIOOSSRAFFM-UHFFFAOYSA-N
XLogP4.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropanoylamino)-N,3-dimethyl-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide?
The IUPAC name of 5-(2,2-dimethylpropanoylamino)-N,3-dimethyl-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide (CID 86835607) is 5-(2,2-dimethylpropanoylamino)-N,3-dimethyl-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(2,2-dimethylpropanoylamino)-N,3-dimethyl-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(2,2-dimethylpropanoylamino)-N,3-dimethyl-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide is Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N(C)CCC(F)(F)F.
What is the InChIKey of 5-(2,2-dimethylpropanoylamino)-N,3-dimethyl-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide?
The InChIKey is KJUOIOOSSRAFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O2S/c1-9-8-10(19-13(22)14(2,3)4)23-11(9)12(21)20(5)7-6-15(16,17)18/h8H,6-7H2,1-5H3,(H,19,22).
What are the key properties of 5-(2,2-dimethylpropanoylamino)-N,3-dimethyl-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide?
5-(2,2-dimethylpropanoylamino)-N,3-dimethyl-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide has a molecular weight of 350.41 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropanoylamino)-N,3-dimethyl-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide is sourced from PubChem (CID 86835607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).